1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C15H22N2O4 — CID 63147875

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1cc(C(C)NC(=O)N2CCC(C)(C(=O)O)C2)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-9-7-12(11(3)21-9)10(2)16-14(20)17-6-5-15(4,8-17)13(18)19/h7,10H,5-6,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyLMEOFSNNRDLTRR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.46
Rot. Bonds3

About 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147875) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147875
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1cc(C(C)NC(=O)N2CCC(C)(C(=O)O)C2)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-9-7-12(11(3)21-9)10(2)16-14(20)17-6-5-15(4,8-17)13(18)19/h7,10H,5-6,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyLMEOFSNNRDLTRR-UHFFFAOYSA-N
XLogP2.46
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-7,7-dimethyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 99839284
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
1-[1-(3,5-difluoro-4-pyridinyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122014156
3-methyl-1-[1-(2-nitrophenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122009052
1-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017263
1-(but-3-yn-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114418629
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 97306529
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 60597838
1-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122009381
1-(3,3-difluorobutan-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122080139
1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122006743
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71861162

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63147875) is 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is Cc1cc(C(C)NC(=O)N2CCC(C)(C(=O)O)C2)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LMEOFSNNRDLTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9-7-12(11(3)21-9)10(2)16-14(20)17-6-5-15(4,8-17)13(18)19/h7,10H,5-6,8H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).